Glycoside
GD121984
Name:
ethyl 3-[3-(2-hydroxyethyl)-7-[2-(methylamino)ethoxy]-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-benzofuran-5-yl]propanoateFormula:
C24H35O11NSmiles:
CCOC(=O)CCc1cc2c(CCO)coc2c(OCCNC)c1OC1OC(CO)C(O)C(O)C1OAglycone:
CCOC(=O)CCc1cc2c(CCO)coc2c(OCCNC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 13 |
| MolWt: | 513.54 | Num_heavy_atoms: | 36 |
| TPSA: | 180.31 | NumAromaticRings: | 2 |
Unique Aglycone
AD49125
Formula: C18H25O6N
Smiles:
CCOC(=O)CCc1cc2c(CCO)coc2c(OCCNC)c1O| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 10 |
| MolWt: | 351.4 | Num_heavy_atoms: | 25 |
| TPSA: | 101.16 | NumAromaticRings: | 2 |
